SCHEMBL11389503

SCHEMBL11389503

COC(=O)c1ccc2nc(-c3ccccc3OC)[nH]c(=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.58
▸ GUSB P08236 5/20 0.57
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CYP1A1 P04798 2/20 0.47
▸ CYP1B1 Q16678 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ESR1 P03372 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11382413 0.91 GUSB (0.59) TNKSGUSBMEN1POLBTSHR
SCHEMBL11375840 0.89 ALDH1A1 (0.58) TNKSGUSBMEN1POLBTSHR
SCHEMBL11556023 0.86 GUSB (0.51) TNKSGUSBMEN1POLBTSHR
SCHEMBL183430 0.82 GUSB (0.59) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL1622681 0.81 CSNK2A2 (0.64) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL17786634 0.81 GUSB (0.58) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL11549248 0.81 GUSB (0.56) GUSBMEN1POLBTSHRKMT2A
SCHEMBL29740691 0.80 GUSB (0.78) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL1084872 0.80 GUSB (0.78) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL11553644 0.79 ALDH1A1 (0.53) GUSBMEN1POLBTSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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